SCHEMBL2323587

SCHEMBL2323587

CC1(C)CC(O)CC(C)(CNc2cc(Cl)ccn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
SYK P43405 1/20 0.32
GSK3A P49840 1/20 0.31
MAPK10 P53779 1/20 0.31
RIOK2 Q9BVS4 1/20 0.31
BACE1 P56817 1/20 0.31
GRM4 Q14833 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
DPP4 P27487 1/20 0.31
PHGDH O43175 2/20 0.31
IDH1 O75874 1/20 0.31
HCRTR1 O43613 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2360451 0.81 KDM4E (0.43) HSD11B1NPSR1ALDH1A1
SCHEMBL2358791 0.81 HSD11B1 (0.43) HSD11B1MAPTNPSR1IDH1ALDH1A1
SCHEMBL2324011 0.78 HSD11B1 (0.43) HSD11B1POLBLMNA
SCHEMBL12350721 0.77 HSD11B1 (0.42) HSD11B1
SCHEMBL2322122 0.77 HSD11B1 (0.39) HSD11B1POLBNPSR1LMNA
SCHEMBL2325476 0.75 NPC1 (0.39) HSD11B1POLBMAPTNPSR1ALDH1A1
SCHEMBL2318852 0.74 HRH1 (0.36) HSD11B1
SCHEMBL12350899 0.74 KDM4E (0.38) HSD11B1POLBMAPTNPSR1MERTK
SCHEMBL12350968 0.74 HSD11B1 (0.43) HSD11B1MAPTNPSR1HCRTR1HCRTR2
SCHEMBL2321362 0.73 HSD11B1 (0.40) HSD11B1MAPTALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 HSD11B1 433/4885POLB 3731/4885MAPT 2180/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.